Vitas-M small molecule compound
(2-{(Z)-[1-(4-ethoxyphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK566330
SMILES CCOc1ccc(cc1)N1C(=O)N=C(/C(=C/c2ccccc2OCC(=O)O)/C1=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-2-29-15-9-7-14(8-10-15)23-20(27)16(19(26)22-21(23)28)11-13-5-3-4-6-17(13)30-12-18(24)25/h3-11H,2,12H2,1H3,(H,24,25)(H,22,26,28)/b16-11-InChIKey
SHBSIGOCIBABAJ-WJDWOHSUSA-NSynonyms
373613-02-6(2((Z)(1(4ethoxyphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)phenoxy)aceticacid
2(2((Z)(1(4ETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
373613026
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OCC(=O)O)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)N=C(C(=Cc2ccccc2OCC(=O)O)C1=O)O
InChI=1SC21H18N2O7c1229159714(81015)2320(27)16(19(26)2221(23)28)1113534617(13)301218(24)25h311H212H21H3(H2425)(H222628)b1611
MFCD03798379
ZINC000006784052
ZINC6784052
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